Chemical ID: 5881908

Cc1ccccc1n2c(cc(n2)C(C)(C)C)NC(=O)C(Cc3ccccc3)NC(=O)c4ccc(cc4)Cl
Chemical ID:
5881908
Name [?]:
4-chloro-N-[1-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoyl]-2-phenyl-ethyl]-benzamide
SMILES [?]:
Cc1ccccc1n2c(cc(n2)C(C)(C)C)NC(=O)C(Cc3ccccc3)NC(=O)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H31ClN4O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:15.4893
Area:763.462
Solvation:-3.59727
Coulombic:-51.7575
Bond Count [?]
All:40
Single:27
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:515.046
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.51
LogP (Chemaxon):7.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue